SCHEMBL8044496

SCHEMBL8044496

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(COCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.39
EDNRA P25101 6/20 0.39
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4770889 0.89 EDNRB (0.40) EDNRBEDNRATP53MAPT
SCHEMBL6640800 0.88 EDNRB (0.41) EDNRBEDNRATP53MAPT
SCHEMBL7947866 0.88 EDNRB (0.39) EDNRBEDNRATP53MAPT
SCHEMBL7956558 0.88 MAPT (0.41) EDNRBEDNRATP53MAPT
SCHEMBL6771681 0.88 EDNRA (0.40) EDNRBEDNRATP53MAPT
SCHEMBL6769798 0.87 EDNRB (0.38) EDNRBEDNRATP53MAPT
SCHEMBL6771197 0.87 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6778008 0.87 EDNRB (0.40) EDNRBEDNRATP53MAPT
SCHEMBL6770266 0.87 EDNRB (0.39) EDNRBEDNRATP53MAPT
SCHEMBL8044523 0.86 EDNRB (0.45) EDNRBEDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 US disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 EP disclosed